Geometry & MOs

Info

ID:	287558
PubChem CID:	104247096
Reduced:	N4H16C17 (1)
Stoich.:	A4B16C17 (1)
Weight, g/mol:	276.137497
ΔH_f, kcal/mol:	86.22
Dipole, Da:	4.89
IP(EA), eV:	-8.39(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)pyrazol-4-yl]aniline

Drug info:

PubChemData

Smile

C1CC2=C(C1)N=C(C=C2)N3C=CN=C3C4=CC(=CC=C4)N

DOS

IR

Vibrations